%chk=000277031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277031

0 1
O -1.004737 2.356959 -1.804680
N 0.184826 0.029221 0.501964
N -0.285129 0.355846 -0.819471
C 1.047561 -1.185243 0.574936
C 0.648790 1.265455 1.074961
C -1.387437 -0.501208 -1.335072
C -0.446489 1.824184 -0.874892
C 0.226108 2.324102 0.320543
C 2.496312 -0.987499 0.196306
C -2.673207 -0.410844 -0.547541
C 1.392263 1.272003 2.350235
C 2.843615 -0.439598 -1.046283
C 3.503780 -1.380405 1.090102
C -3.522804 0.691310 -0.725622
C -3.025202 -1.424532 0.353521
C 4.189204 -0.279935 -1.387849
C 4.848120 -1.223433 0.741376
C -4.719799 0.772254 -0.010893
C -4.225759 -1.339614 1.065674
C 5.193175 -0.671518 -0.496337
C -5.074483 -0.243703 0.883652
H 0.603575 -1.977738 -0.076327
H 0.950918 -1.558625 1.623053
H -1.023773 -1.551468 -1.393074
H -1.555579 -0.164128 -2.391312
H 0.315988 3.372667 0.528997
H 0.908776 0.646450 3.116885
H 1.472103 2.289372 2.766104
H 2.422619 0.896423 2.218209
H 2.062966 -0.130770 -1.745538
H 3.245833 -1.814218 2.054021
H -3.239387 1.490102 -1.417475
H -2.365350 -2.275273 0.505695
H 4.454585 0.151135 -2.352740
H 5.628013 -1.532320 1.435586
H -5.376857 1.629333 -0.150570
H -4.498512 -2.128483 1.763841
H 6.240532 -0.547662 -0.765745
H -6.008657 -0.179496 1.437657


%chk=000277031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277031

0 1
O -0.915261 2.643907 -2.313422
N 0.338062 1.083938 0.611341
N -0.242227 1.050291 -0.681772
C 0.855654 -0.135792 1.235582
C 0.705631 2.405177 0.868719
C -0.902475 -0.122466 -1.251879
C -0.344533 2.382760 -1.205490
C 0.296886 3.210952 -0.189920
C 2.025263 -0.799009 0.500136
C -2.125403 -0.607699 -0.474926
C 1.421508 2.785039 2.135063
C 2.870373 -0.062677 -0.365500
C 2.283412 -2.176463 0.712337
C -3.156016 0.299043 -0.118143
C -2.258816 -1.974276 -0.127181
C 3.963389 -0.694595 -1.001325
C 3.379987 -2.806646 0.083070
C -4.297442 -0.155796 0.576501
C -3.404018 -2.432824 0.565096
C 4.224282 -2.065853 -0.776702
C -4.425631 -1.523258 0.920732
H 0.026718 -0.858774 1.354257
H 1.167170 0.151231 2.256990
H -0.177564 -0.947104 -1.389214
H -1.201384 0.236942 -2.257803
H 0.397574 4.290713 -0.254768
H 0.839670 2.513339 3.035536
H 1.577277 3.875066 2.151707
H 2.414687 2.303289 2.214073
H 2.667113 0.997006 -0.556861
H 1.626312 -2.758316 1.371990
H -3.060493 1.355686 -0.394325
H -1.469405 -2.684069 -0.408411
H 4.606199 -0.117607 -1.675299
H 3.571293 -3.871503 0.256810
H -5.090213 0.551903 0.843979
H -3.498478 -3.493373 0.824876
H 5.071194 -2.553943 -1.271437
H -5.313796 -1.875135 1.457481


